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Compile Data Set for Download or QSAR

Found 351 hits with Last Name = 'choi' and Initial = 'hs'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50092082
PNG
(CHEMBL3582441)
Show SMILES OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1/C27H28FN7O2/c28-21-4-1-3-19(15-21)22-5-2-10-34(22)25-7-6-24-30-17-23(35(24)31-25)20-8-9-29-26(16-20)33-13-11-32(12-14-33)18-27(36)37/h1,3-4,6-9,15-17,22H,2,5,10-14,18H2,(H,36,37)/t22-/s2
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n/an/a 1n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of NGF-activated full length TRKA (unknown origin) expressed in mouse BA/F3 cells assessed as inhibition of cell proliferation


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092082
PNG
(CHEMBL3582441)
Show SMILES OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1/C27H28FN7O2/c28-21-4-1-3-19(15-21)22-5-2-10-34(22)25-7-6-24-30-17-23(35(24)31-25)20-8-9-29-26(16-20)33-13-11-32(12-14-33)18-27(36)37/h1,3-4,6-9,15-17,22H,2,5,10-14,18H2,(H,36,37)/t22-/s2
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50092082
PNG
(CHEMBL3582441)
Show SMILES OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1/C27H28FN7O2/c28-21-4-1-3-19(15-21)22-5-2-10-34(22)25-7-6-24-30-17-23(35(24)31-25)20-8-9-29-26(16-20)33-13-11-32(12-14-33)18-27(36)37/h1,3-4,6-9,15-17,22H,2,5,10-14,18H2,(H,36,37)/t22-/s2
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of TPM3-fused TRKA (unknown origin) expressed in human KM12 cells assessed as inhibition of cell proliferation after 48 hrs by luciferase ...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092082
PNG
(CHEMBL3582441)
Show SMILES OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1/C27H28FN7O2/c28-21-4-1-3-19(15-21)22-5-2-10-34(22)25-7-6-24-30-17-23(35(24)31-25)20-8-9-29-26(16-20)33-13-11-32(12-14-33)18-27(36)37/h1,3-4,6-9,15-17,22H,2,5,10-14,18H2,(H,36,37)/t22-/s2
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092079
PNG
(CHEMBL3582439)
Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1 |r|
Show InChI InChI=1/C21H18FN5/c22-16-6-3-5-15(13-16)18-8-4-12-26(18)21-10-9-20-24-14-19(27(20)25-21)17-7-1-2-11-23-17/h1-3,5-7,9-11,13-14,18H,4,8,12H2/t18-/s2
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092079
PNG
(CHEMBL3582439)
Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1 |r|
Show InChI InChI=1/C21H18FN5/c22-16-6-3-5-15(13-16)18-8-4-12-26(18)21-10-9-20-24-14-19(27(20)25-21)17-7-1-2-11-23-17/h1-3,5-7,9-11,13-14,18H,4,8,12H2/t18-/s2
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50092082
PNG
(CHEMBL3582441)
Show SMILES OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1/C27H28FN7O2/c28-21-4-1-3-19(15-21)22-5-2-10-34(22)25-7-6-24-30-17-23(35(24)31-25)20-8-9-29-26(16-20)33-13-11-32(12-14-33)18-27(36)37/h1,3-4,6-9,15-17,22H,2,5,10-14,18H2,(H,36,37)/t22-/s2
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092081
PNG
(CHEMBL3582442)
Show SMILES OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1/C26H27FN6O/c27-20-4-1-3-18(15-20)22-5-2-12-32(22)25-7-6-24-29-17-23(33(24)30-25)19-8-11-28-26(16-19)31-13-9-21(34)10-14-31/h1,3-4,6-8,11,15-17,21-22,34H,2,5,9-10,12-14H2/t22-/s2
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n/an/a 2n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092132
PNG
(CHEMBL3582440)
Show SMILES OC1CCN(CC1)c1cccc(n1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1/C26H27FN6O/c27-19-5-1-4-18(16-19)22-7-3-13-32(22)26-10-9-24-28-17-23(33(24)30-26)21-6-2-8-25(29-21)31-14-11-20(34)12-15-31/h1-2,4-6,8-10,16-17,20,22,34H,3,7,11-15H2/t22-/s2
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50092081
PNG
(CHEMBL3582442)
Show SMILES OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1/C26H27FN6O/c27-20-4-1-3-18(15-20)22-5-2-12-32(22)25-7-6-24-29-17-23(33(24)30-25)19-8-11-28-26(16-19)31-13-9-21(34)10-14-31/h1,3-4,6-8,11,15-17,21-22,34H,2,5,9-10,12-14H2/t22-/s2
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of NGF-activated full length TRKA (unknown origin) expressed in mouse BA/F3 cells assessed as inhibition of cell proliferation


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50092079
PNG
(CHEMBL3582439)
Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1 |r|
Show InChI InChI=1/C21H18FN5/c22-16-6-3-5-15(13-16)18-8-4-12-26(18)21-10-9-20-24-14-19(27(20)25-21)17-7-1-2-11-23-17/h1-3,5-7,9-11,13-14,18H,4,8,12H2/t18-/s2
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092104
PNG
(CHEMBL3582432)
Show SMILES Fc1cccc(CNc2ccc3ncc(-c4ccc(NC(=O)C5CCOCC5)cc4)n3n2)c1
Show InChI InChI=1S/C22H30N4O4/c27-20(28)12-19-21(29)24-13-17-11-16(1-2-18(17)25-19)22(30)26-9-5-15(6-10-26)14-3-7-23-8-4-14/h1-2,11,14-15,19,23,25H,3-10,12-13H2,(H,24,29)(H,27,28)/t19-/m0/s1
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092085
PNG
(CHEMBL3582438)
Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 |r|
Show InChI InChI=1/C23H18FN5/c24-19-4-1-3-18(13-19)20-5-2-12-28(20)23-11-10-22-26-15-21(29(22)27-23)17-8-6-16(14-25)7-9-17/h1,3-4,6-11,13,15,20H,2,5,12H2/t20-/s2
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184049
PNG
(3-(6-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CCC(O)=O)n4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C23H23N5O5/c1-31-17-11-16(12-18(32-2)21(17)33-3)26-23-24-13-14-9-10-28(22(14)27-23)19-6-4-5-15(25-19)7-8-20(29)30/h4-6,9-13H,7-8H2,1-3H3,(H,29,30)(H,24,26,27)
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n/an/a 4n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092081
PNG
(CHEMBL3582442)
Show SMILES OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1/C26H27FN6O/c27-20-4-1-3-18(15-20)22-5-2-12-32(22)25-7-6-24-29-17-23(33(24)30-25)19-8-11-28-26(16-19)31-13-9-21(34)10-14-31/h1,3-4,6-8,11,15-17,21-22,34H,2,5,9-10,12-14H2/t22-/s2
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092086
PNG
(CHEMBL3582433)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(NCc3cccc(F)c3)nn12
Show InChI InChI=1S/C19H16FN5O2S/c20-15-3-1-2-13(10-15)11-22-18-8-9-19-23-12-17(25(19)24-18)14-4-6-16(7-5-14)28(21,26)27/h1-10,12H,11H2,(H,22,24)(H2,21,26,27)
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50092081
PNG
(CHEMBL3582442)
Show SMILES OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1/C26H27FN6O/c27-20-4-1-3-18(15-20)22-5-2-12-32(22)25-7-6-24-29-17-23(33(24)30-25)19-8-11-28-26(16-19)31-13-9-21(34)10-14-31/h1,3-4,6-8,11,15-17,21-22,34H,2,5,9-10,12-14H2/t22-/s2
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092132
PNG
(CHEMBL3582440)
Show SMILES OC1CCN(CC1)c1cccc(n1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1/C26H27FN6O/c27-19-5-1-4-18(16-19)22-7-3-13-32(22)26-10-9-24-28-17-23(33(24)30-26)21-6-2-8-25(29-21)31-14-11-20(34)12-15-31/h1-2,4-6,8-10,16-17,20,22,34H,3,7,11-15H2/t22-/s2
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50092132
PNG
(CHEMBL3582440)
Show SMILES OC1CCN(CC1)c1cccc(n1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1/C26H27FN6O/c27-19-5-1-4-18(16-19)22-7-3-13-32(22)26-10-9-24-28-17-23(33(24)30-26)21-6-2-8-25(29-21)31-14-11-20(34)12-15-31/h1-2,4-6,8-10,16-17,20,22,34H,3,7,11-15H2/t22-/s2
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n/an/a 5n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092090
PNG
(CHEMBL3582429)
Show SMILES Fc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C#N)n3n2)c1
Show InChI InChI=1S/C20H14FN5/c21-17-3-1-2-15(10-17)12-23-19-8-9-20-24-13-18(26(20)25-19)16-6-4-14(11-22)5-7-16/h1-10,13H,12H2,(H,23,25)
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n/an/a 6n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50092104
PNG
(CHEMBL3582432)
Show SMILES Fc1cccc(CNc2ccc3ncc(-c4ccc(NC(=O)C5CCOCC5)cc4)n3n2)c1
Show InChI InChI=1S/C22H30N4O4/c27-20(28)12-19-21(29)24-13-17-11-16(1-2-18(17)25-19)22(30)26-9-5-15(6-10-26)14-3-7-23-8-4-14/h1-2,11,14-15,19,23,25H,3-10,12-13H2,(H,24,29)(H,27,28)/t19-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092104
PNG
(CHEMBL3582432)
Show SMILES Fc1cccc(CNc2ccc3ncc(-c4ccc(NC(=O)C5CCOCC5)cc4)n3n2)c1
Show InChI InChI=1S/C22H30N4O4/c27-20(28)12-19-21(29)24-13-17-11-16(1-2-18(17)25-19)22(30)26-9-5-15(6-10-26)14-3-7-23-8-4-14/h1-2,11,14-15,19,23,25H,3-10,12-13H2,(H,24,29)(H,27,28)/t19-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092083
PNG
(CHEMBL3582436)
Show SMILES Fc1cccc(c1)C1CCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1/C23H18FN5/c24-19-4-1-3-18(13-19)20-5-2-12-28(20)23-11-10-22-26-15-21(29(22)27-23)17-8-6-16(14-25)7-9-17/h1,3-4,6-11,13,15,20H,2,5,12H2
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n/an/a 8n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50092081
PNG
(CHEMBL3582442)
Show SMILES OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1/C26H27FN6O/c27-20-4-1-3-18(15-20)22-5-2-12-32(22)25-7-6-24-29-17-23(33(24)30-25)19-8-11-28-26(16-19)31-13-9-21(34)10-14-31/h1,3-4,6-8,11,15-17,21-22,34H,2,5,9-10,12-14H2/t22-/s2
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n/an/a 10n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of TPM3-fused TRKA (unknown origin) expressed in human KM12 cells assessed as inhibition of cell proliferation after 48 hrs by luciferase ...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092085
PNG
(CHEMBL3582438)
Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 |r|
Show InChI InChI=1/C23H18FN5/c24-19-4-1-3-18(13-19)20-5-2-12-28(20)23-11-10-22-26-15-21(29(22)27-23)17-8-6-16(14-25)7-9-17/h1,3-4,6-11,13,15,20H,2,5,12H2/t20-/s2
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n/an/a 11n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092088
PNG
(CHEMBL3582434)
Show SMILES Fc1cccc(c1)C1CCCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1/C24H20FN5/c25-20-5-3-4-19(14-20)21-6-1-2-13-29(21)24-12-11-23-27-16-22(30(23)28-24)18-9-7-17(15-26)8-10-18/h3-5,7-12,14,16,21H,1-2,6,13H2
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n/an/a 11n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092086
PNG
(CHEMBL3582433)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(NCc3cccc(F)c3)nn12
Show InChI InChI=1S/C19H16FN5O2S/c20-15-3-1-2-13(10-15)11-22-18-8-9-19-23-12-17(25(19)24-18)14-4-6-16(7-5-14)28(21,26)27/h1-10,12H,11H2,(H,22,24)(H2,21,26,27)
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n/an/a 13n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092089
PNG
(CHEMBL3582435)
Show SMILES Fc1cccc(c1)C1COCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1/C23H18FN5O/c24-19-3-1-2-18(12-19)21-15-30-11-10-28(21)23-9-8-22-26-14-20(29(22)27-23)17-6-4-16(13-25)5-7-17/h1-9,12,14,21H,10-11,15H2
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n/an/a 19n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50193253
PNG
(CHEMBL3961676)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCF)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H30FNO2.ClH/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 20n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092087
PNG
(CHEMBL3580682)
Show SMILES CN(Cc1ccccc1)c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1S/C21H17N5/c1-25(15-17-5-3-2-4-6-17)21-12-11-20-23-14-19(26(20)24-21)18-9-7-16(13-22)8-10-18/h2-12,14H,15H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50193253
PNG
(CHEMBL3961676)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCF)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H30FNO2.ClH/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 20n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERalpha (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50092085
PNG
(CHEMBL3582438)
Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 |r|
Show InChI InChI=1/C23H18FN5/c24-19-4-1-3-18(13-19)20-5-2-12-28(20)23-11-10-22-26-15-21(29(22)27-23)17-8-6-16(14-25)7-9-17/h1,3-4,6-11,13,15,20H,2,5,12H2/t20-/s2
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n/an/a 21n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092090
PNG
(CHEMBL3582429)
Show SMILES Fc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C#N)n3n2)c1
Show InChI InChI=1S/C20H14FN5/c21-17-3-1-2-15(10-17)12-23-19-8-9-20-24-13-18(26(20)25-19)16-6-4-14(11-22)5-7-16/h1-10,13H,12H2,(H,23,25)
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n/an/a 21n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50092086
PNG
(CHEMBL3582433)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(NCc3cccc(F)c3)nn12
Show InChI InChI=1S/C19H16FN5O2S/c20-15-3-1-2-13(10-15)11-22-18-8-9-19-23-12-17(25(19)24-18)14-4-6-16(7-5-14)28(21,26)27/h1-10,12H,11H2,(H,22,24)(H2,21,26,27)
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n/an/a 27n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092102
PNG
(CHEMBL3582431)
Show SMILES OCc1ccc(cc1)-c1cnc2ccc(NCc3cccc(F)c3)nn12
Show InChI InChI=1S/C20H17FN4O/c21-17-3-1-2-15(10-17)11-22-19-8-9-20-23-12-18(25(20)24-19)16-6-4-14(13-26)5-7-16/h1-10,12,26H,11,13H2,(H,22,24)
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n/an/a 27n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183986
PNG
(CHEMBL207084 | N-(2-aminoethyl)-3-(2-(3,4,5-trimet...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCN)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C24H26N6O4/c1-32-19-12-17(13-20(33-2)21(19)34-3)28-24-27-14-16-7-10-30(22(16)29-24)18-6-4-5-15(11-18)23(31)26-9-8-25/h4-7,10-14H,8-9,25H2,1-3H3,(H,26,31)(H,27,28,29)
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n/an/a 29n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092083
PNG
(CHEMBL3582436)
Show SMILES Fc1cccc(c1)C1CCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1/C23H18FN5/c24-19-4-1-3-18(13-19)20-5-2-12-28(20)23-11-10-22-26-15-21(29(22)27-23)17-8-6-16(14-25)7-9-17/h1,3-4,6-11,13,15,20H,2,5,12H2
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n/an/a 29n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183989
PNG
(3-(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CCC(O)=O)c4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C24H24N4O5/c1-31-19-12-17(13-20(32-2)22(19)33-3)26-24-25-14-16-9-10-28(23(16)27-24)18-6-4-5-15(11-18)7-8-21(29)30/h4-6,9-14H,7-8H2,1-3H3,(H,29,30)(H,25,26,27)
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n/an/a 35n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184028
PNG
(2-(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CC(O)=O)c4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C23H22N4O5/c1-30-18-11-16(12-19(31-2)21(18)32-3)25-23-24-13-15-7-8-27(22(15)26-23)17-6-4-5-14(9-17)10-20(28)29/h4-9,11-13H,10H2,1-3H3,(H,28,29)(H,24,25,26)
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n/an/a 37n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184034
PNG
(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(O)=O)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C22H20N4O5/c1-29-17-10-15(11-18(30-2)19(17)31-3)24-22-23-12-14-7-8-26(20(14)25-22)16-6-4-5-13(9-16)21(27)28/h4-12H,1-3H3,(H,27,28)(H,23,24,25)
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n/an/a 38n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184019
PNG
(CHEMBL379837 | N-(2-(dimethylamino)ethyl)-3-(2-(3,...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCN(C)C)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C26H30N6O4/c1-31(2)12-10-27-25(33)17-7-6-8-20(13-17)32-11-9-18-16-28-26(30-24(18)32)29-19-14-21(34-3)23(36-5)22(15-19)35-4/h6-9,11,13-16H,10,12H2,1-5H3,(H,27,33)(H,28,29,30)
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n/an/a 38n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092102
PNG
(CHEMBL3582431)
Show SMILES OCc1ccc(cc1)-c1cnc2ccc(NCc3cccc(F)c3)nn12
Show InChI InChI=1S/C20H17FN4O/c21-17-3-1-2-15(10-17)11-22-19-8-9-20-23-12-18(25(20)24-19)16-6-4-14(13-26)5-7-16/h1-10,12,26H,11,13H2,(H,22,24)
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n/an/a 40n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092089
PNG
(CHEMBL3582435)
Show SMILES Fc1cccc(c1)C1COCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1/C23H18FN5O/c24-19-3-1-2-18(12-19)21-15-30-11-10-28(21)23-9-8-22-26-14-20(29(22)27-23)17-6-4-16(13-25)5-7-17/h1-9,12,14,21H,10-11,15H2
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n/an/a 47n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50193253
PNG
(CHEMBL3961676)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCF)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H30FNO2.ClH/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 48n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092088
PNG
(CHEMBL3582434)
Show SMILES Fc1cccc(c1)C1CCCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1/C24H20FN5/c25-20-5-3-4-19(14-20)21-6-1-2-13-29(21)24-12-11-23-27-16-22(30(23)28-24)18-9-7-17(15-26)8-10-18/h3-5,7-12,14,16,21H,1-2,6,13H2
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n/an/a 50n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50092090
PNG
(CHEMBL3582429)
Show SMILES Fc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C#N)n3n2)c1
Show InChI InChI=1S/C20H14FN5/c21-17-3-1-2-15(10-17)12-23-19-8-9-20-24-13-18(26(20)25-19)16-6-4-14(11-22)5-7-16/h1-10,13H,12H2,(H,23,25)
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n/an/a 50n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184002
PNG
(CHEMBL207961 | N-(3-(dimethylamino)propyl)-3-(2-(3...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCCN(C)C)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C27H32N6O4/c1-32(2)12-7-11-28-26(34)18-8-6-9-21(14-18)33-13-10-19-17-29-27(31-25(19)33)30-20-15-22(35-3)24(37-5)23(16-20)36-4/h6,8-10,13-17H,7,11-12H2,1-5H3,(H,28,34)(H,29,30,31)
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n/an/a 54n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50193250
PNG
(CHEMBL3897416)
Show SMILES Cl.CN(C)CCCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C28H33NO3.ClH/c1-29(2)19-7-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-20-30)22-8-4-3-5-9-22;/h3-5,8-9,11-18,30-31H,6-7,10,19-21H2,1-2H3;1H/b28-27-;
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n/an/a 58n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50092082
PNG
(CHEMBL3582441)
Show SMILES OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1/C27H28FN7O2/c28-21-4-1-3-19(15-21)22-5-2-10-34(22)25-7-6-24-30-17-23(35(24)31-25)20-8-9-29-26(16-20)33-13-11-32(12-14-33)18-27(36)37/h1,3-4,6-9,15-17,22H,2,5,10-14,18H2,(H,36,37)/t22-/s2
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n/an/a 60n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused ROS (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant ...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184035
PNG
(CHEMBL207499 | N-isobutyl-3-(3-(2-(3,4,5-trimethox...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)NCC(C)C)c4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C28H33N5O4/c1-18(2)16-29-25(34)10-9-19-7-6-8-22(13-19)33-12-11-20-17-30-28(32-27(20)33)31-21-14-23(35-3)26(37-5)24(15-21)36-4/h6-8,11-15,17-18H,9-10,16H2,1-5H3,(H,29,34)(H,30,31,32)
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n/an/a 63n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
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